UCSF

ZINC13193275

Substance Information

In ZINC since Heavy atoms Benign functionality
June 11th, 2008 34 No

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Annotations

Vendors

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.18 10.13 -146.16 1 8 -2 130 454.438 6
Mid Mid (pH 6-8) 3.63 8.14 -89.19 2 8 -1 127 455.446 5
Mid Mid (pH 6-8) 2.60 9.19 -74.02 1 8 -1 124 455.446 6

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )